Geometry & MOs

Info

ID:	265394
PubChem CID:	103519565
Reduced:	BrO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	300.02219
ΔH_f, kcal/mol:	20.85
Dipole, Da:	5.73
IP(EA), eV:	-9.55(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-5-nitropyridin-4-yl)-N-cyclopropylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNCCNC1=C(C=NC=C1[N+](=O)[O-])Br

DOS

IR

Vibrations